SCHEMBL9537956

SCHEMBL9537956

O=C(N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1CC=CCCCc1nnn[nH]1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 16/20 0.44
▸ PTGIR P43119 4/20 0.43
▸ TBXA2R P21731 8/20 0.42
▸ TBXAS1 P24557 1/20 0.40
▸ CPB1 P15086 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10429971 1.00 PTGDR (0.44) PTGDRPTGIRTBXA2RTBXAS1CPB1
SCHEMBL9537952 1.00 PTGDR (0.44) PTGDRPTGIRTBXA2RTBXAS1CPB1
SCHEMBL9537415 0.88 CPB1 (0.39) PTGDRCPB1
SCHEMBL9537420 0.88 CPB1 (0.39) PTGDRCPB1
SCHEMBL9535718 0.78 TBXA2R (0.64) PTGDRPTGIRTBXA2RTBXAS1
SCHEMBL9535728 0.78 TBXA2R (0.64) PTGDRPTGIRTBXA2RTBXAS1
SCHEMBL9535142 0.78 TBXA2R (0.64) PTGDRPTGIRTBXA2RTBXAS1
SCHEMBL10430072 0.78 TBXA2R (0.64) PTGDRPTGIRTBXA2RTBXAS1
SCHEMBL9535130 0.78 TBXA2R (0.64) PTGDRPTGIRTBXA2RTBXAS1
SCHEMBL9533919 0.75 ALDH1A1 (0.50) CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352083-B1 Alkenyltetrazole derivatives, their preparation and use SHIONOGI & CO (JP) 1993-11-24 — — EP disclosed
US-4916231-A THROMBOXANE A2 RECPTOR ANTAGONISTS SHIONOGI & CO., LTD. (JP) 1990-04-10 — — US disclosed
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